General Information of the Compound
| Compound ID |
CP0441507
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| Compound Name |
1-Benzyl-4-(5-methyl-1H-pyrazol-3-yl)-piperidine
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| Structure |
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| Formula |
C16H21N3
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| Molecular Weight |
255.365
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| Canonical SMILES |
Cc1cc([nH]n1)C1CCN(Cc2ccccc2)CC1
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| InChI |
InChI=1S/C16H21N3/c1-13-11-16(18-17-13)15-7-9-19(10-8-15)12-14-5-3-2-4-6-14/h2-6,11,15H,7-10,12H2,1H3,(H,17,18)
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| InChIKey |
BRZAPKIDJOPKEJ-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01005, D(2) dopamine receptor
Protein ID: PT00943, D(3) dopamine receptor
Protein ID: PT01161, D(4) dopamine receptor